MSI_000017910
Reliable
排名分数: 1.08
参考来源: Vitis vinifera (PO:0009087: mesocarp)
M/z: 553.0208
Mass Window: 553.0207 ~ 553.0209 (0.9 ppm)
参考注释
{5-[(2r,3r)-5,7-dihydroxy-4-oxo-3-(3,4,5-trihydroxybenzoyloxy)-2,3-dihydro-1-benzopyran-2-yl]-2,3-dihydroxyphenyl}oxidanesulfonic acid_[M+H]+ (BioDeep_00002213056){5-[(2r,3r)-5,7-dihydroxy-4-oxo-3-(3,4,5-trihydroxybenzoyloxy)-2,3-dihydro-1-benzopyran-2-yl]-2,3-dihydroxyphenyl}oxidanesulfonic acid
Formula: C22H16O15S (552.0209906)
SMILES:
O=C(O[C@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(OS(=O)(=O)O)c1)c1cc(O)c(O)c(O)c1
